2,5-Dichlorophenol

C₆H₄Cl₂OCAS 583-78-8163.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄Cl₂O
Molar mass: 163.00 g/mol
Exact mass: 161.9639 Da
Melting point: 59 °C
Boiling point: 211 °C (at 744 Torr)
pKa: 7.51
Water solubility: 2 g/L (25 °C)
logP: 2.70Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed98.9% of notifiers
H314 Causes severe skin burns and eye damage36% of notifiers
H315 Causes skin irritation62.9% of notifiers
H318 Causes serious eye damage15.1% of notifiers
H319 Causes serious eye irritation62.9% of notifiers
H411 Toxic to aquatic life with long lasting effects61.3% of notifiers

Aggregated from 186 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

583-78-8

SMILES

Oc1cc(Cl)ccc1Cl

InChIKey

RANCECPPZPIPNO-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Phenol, 2,5-dichloro-
NSC 6296

Work with 2,5-Dichlorophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chlorocatechol2138-22-965 % similar 4-Chlororesorcinol95-88-560 % similar 2-Chloro-5-fluorophenol3827-49-458 % similar Triclosan3380-34-557 % similar 1,2,4-Trichlorobenzene120-82-157 % similar 2-Bromo-5-chlorophenol13659-23-956 % similar 5-Bromo-2-chlorophenol183802-98-456 % similar 2-Amino-5-chlorophenol28443-50-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichlorophenol120-83-2 2,3-Dichlorophenol576-24-9 3,5-Dichlorophenol591-35-5 2,6-Dichlorophenol87-65-0 3,4-Dichlorophenol95-77-2

Elsewhere

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